- InChI
- InChI=1S/C20H19F2NO5/c1-26-17-4-3-13(9-18(17)27-2)7-8-23-19(24)5-6-20(25)28-16-11-14(21)10-15(22)12-16/h3-6,9-12H,7-8H2,1-2H3,(H,23,24)/b6-5+
- InChI Key
- DYYPBHAKVSVGSJ-AATRIKPKSA-N
- Formula
- C20H19F2NO5
- SMILES
-
COc1ccc(CCNC(=O)C=CC(=O)Oc2cc(
F)cc(F)c2)cc1OC - Molecular Weight1
- 391.37
- Other Names
-
- Fumaric acid, monoamide, N-(3,4-dimethoxyphenethyl)-, 3,5-fluorophenyl ester
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -489.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -872.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.80 | kJ/mol | Joback Calculated Property |
| log10WS | -4.80 | Crippen Calculated Property | |
| logPoct/wat | 2.802 | Crippen Calculated Property | |
| McVol | 275.110 | ml/mol | McGowan Calculated Property |
| Pc | 1618.07 | kPa | Joback Calculated Property |
| Inp | 3114.00 | NIST | |
| Tboil | 958.15 | K | Joback Calculated Property |
| Tc | 1181.76 | K | Joback Calculated Property |
| Tfus | 633.39 | K | Joback Calculated Property |
| Vc | 1.056 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [843.81; 890.27] | J/mol×K | [958.15; 1181.76] | 
|
| Cp,gas | 843.81 | J/mol×K | 958.15 | Joback Calculated Property |
| Cp,gas | 854.67 | J/mol×K | 995.42 | Joback Calculated Property |
| Cp,gas | 864.27 | J/mol×K | 1032.69 | Joback Calculated Property |
| Cp,gas | 872.60 | J/mol×K | 1069.95 | Joback Calculated Property |
| Cp,gas | 879.70 | J/mol×K | 1107.22 | Joback Calculated Property |
| Cp,gas | 885.58 | J/mol×K | 1144.49 | Joback Calculated Property |
| Cp,gas | 890.27 | J/mol×K | 1181.76 | Joback Calculated Property |
Similar Compounds
Sources
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